Geometry & MOs

Info

ID:	86703
PubChem CID:	49888534
Reduced:	BrSN2O6H21C26 (1)
Stoich.:	ABC2D6E21F26 (1)
Weight, g/mol:	409.053942
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	5.28
IP(EA), eV:	-9.49(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)Br)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations